SCHEMBL17273619

SCHEMBL17273619

O=C1c2ccccc2C(=O)N1CCCCOc1cc(CO)cc(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30602605 1.00 RAB9A (0.60) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL1742147 0.96 RAB9A (0.66) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL17273630 0.86 RAB9A (0.60) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL9860255 0.85 RAB9A (0.67) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL30602599 0.82 TDP1 (0.67) TDP1L3MBTL1TSHRMAPK1
SCHEMBL12193888 0.82 TDP1 (0.67) TDP1L3MBTL1TSHRMAPK1
SCHEMBL1999435 0.81 RAB9A (0.90) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL505643 0.80 RAB9A (0.66) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL11996369 0.79 RAB9A (0.87) RAB9AMAPTSMN1; SMN2NPSR1HPGD
SCHEMBL8554591 0.79 RAB9A (0.87) RAB9AMAPTSMN1; SMN2NPSR1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145922-B1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECH INC (US) 2022-07-20 EP disclosed
US-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 US disclosed
WO-2021262628-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-12-30 WO disclosed
CN-106660992-B Dimethylpyridine derivative and medical application thereof 美泰康公司 2021-01-08 CN disclosed
EP-3145922-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES Molecular Targeting Technologies, Inc. (US) 2017-03-29 EP disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
US-9388193-B2 Dipicolylamine derivatives and their pharmaceutical uses NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-07-12 US disclosed
US-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES NAT HEALTH RESEARCH INSTITUTES (TW) 2015-11-26 US disclosed
WO-2015179299-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2015-11-26 WO disclosed
WO-2015179299-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2015-11-26 WO disclosed
US-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES NAT HEALTH RESEARCH INSTITUTES (TW) 2015-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210403483-A1 POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GAA, UGT2B7 RAB9A 1266/4885MAPT 2284/4885SMN1; SMN2 687/4885
US-20150336976-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES PTDSS2, PTDSS1, ITPR2 RAB9A 2684/4885MAPT 3242/4885SMN1; SMN2 2689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.